4-azanyl-N5-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]-N5-phenethyl-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]-N5-phenethyl-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[(1S)-1-(isopentylcarbamoyl)-3-methyl-butyl]-N5-phenethyl-isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-N5-phenethylisothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-phenethyl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[(1S)-1-(isoamylcarbamoyl)-3-methyl-butyl]-N'-phenethyl-isothiazole-3,5-dicarboxamide Formula: C24H35N5O3S MolecularWeight: 473.6314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(CC(C)C)N(CCC1=CC=CC=C1)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CC(C)CCNC(=O)[C@H](CC(C)C)N(CCC1=CC=CC=C1)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C24H35N5O3S/c1-15(2)10-12-27-23(31)18(14-16(3)4)29(13-11-17-8-6-5-7-9-17)24(32)21-19(25)20(22(26)30)28-33-21/h5-9,15-16,18H,10-14,25H2,1-4H3,(H2,26,30)(H,27,31)/t18-/m0/s1